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BioLiP

PDB CCD ID: TSI
Number of entries in BioLiP: 0
Chemical formula: C5 H13 N O2
InChI: InChI=1S/C5H13NO2/c1-4(7)5(2,8)3-6/h4,7-8H,3,6H2,1-2H3/t4-,5+/m1/s1
InChIKey: CNLUNMTZBAHKFI-UHNVWZDZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(C)(CN)O)O
OpenEye OEToolkits 1.5.0C[C@H]([C@](C)(CN)O)O
CACTVS 3.341C[C@@H](O)[C@@](C)(O)CN
CACTVS 3.341C[CH](O)[C](C)(O)CN
ACDLabs 10.04OC(C)C(O)(C)CN
Name:(2S,3R)-1-AMINO-2-METHYLBUTANE-2,3-DIOL
DrugBank: DB02847
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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